First-principles and Monte Carlo studies of C-doped Ni₄₅Co₅Mn₃₇In₁₃Heusler alloys

Abstract

Abstract. In this work, we report the study of the effect of carbon on electronic and magnetic properties of the Ni 45 Co 5 Mn 37 In 13 alloy. Two compounds with addition of 5 at.% C for Mn and In with ferro-and ferrimagnetic spin configurations have been discussed in the framework of first-principles and Monte Carlo calculations. In order to calculate the magnetic exchange parameters, magnetic moments, and electronic density of states curves we have used the SPR-KKR package. We have shown that the addition of carbon leads to enhancement of antiferromagnetic exchange interactions between Mn atoms in martensite of both compounds. The temperature dependences of magnetizations as well as Curie temperatures of austenite and martensite have been obtained.